5K6Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5k6q by Molmil](/molmil-images/mine/5k6q) | Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase catalytic subunit | 分子名称: | 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, ... | 著者 | Garcia, M.D, Wang, J.-G, Lonhienne, T, Guddat, L.W. | 登録日 | 2016-05-25 | 公開日 | 2017-05-31 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.952 Å) | 主引用文献 | Crystal structure of plant acetohydroxyacid synthase, the target for several commercial herbicides. FEBS J., 284, 2017
|
|
7ZUY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zuy by Molmil](/molmil-images/mine/7zuy) | HUMAN PRMT5:MEP50 Crystal Structure With MTA and Fragment Bound | 分子名称: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, Methylosome protein 50, ... | 著者 | Ahmad, M.U, Koelmel, W, Arkhipova, V, Lawson, J.D, Smith, C.R, Gunn, R.J. | 登録日 | 2022-05-13 | 公開日 | 2022-10-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits. Rsc Med Chem, 13, 2022
|
|
6PGJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pgj by Molmil](/molmil-images/mine/6pgj) | Crystal Structure of EcDsbA in a complex with unpurified reaction product A5 (Morpholine carboxylic acid 7) | 分子名称: | (3R)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid, (3S)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid, COPPER (II) ION, ... | 著者 | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | 登録日 | 2019-06-24 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ). J.Med.Chem., 63, 2020
|
|
7ZVU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zvu by Molmil](/molmil-images/mine/7zvu) | HUMAN PRMT5:MEP50 Crystal Structure With MTA and Fragment Bound | 分子名称: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, Methylosome protein 50, ... | 著者 | Ahmad, M.U, Koelmel, W, Arkhipova, V, Lawson, J.D, Smith, C.R, Gunn, R.J. | 登録日 | 2022-05-17 | 公開日 | 2022-10-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits. Rsc Med Chem, 13, 2022
|
|
5JP6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jp6 by Molmil](/molmil-images/mine/5jp6) | Bdellovibrio bacteriovorus peptidoglycan deacetylase Bd3279 | 分子名称: | MAGNESIUM ION, Putative polysaccharide deacetylase, ZINC ION | 著者 | Lovering, A.L. | 登録日 | 2016-05-03 | 公開日 | 2016-06-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Interrupting peptidoglycan deacetylation during Bdellovibrio predator-prey interaction prevents ultimate destruction of prey wall, liberating bacterial-ghosts. Sci Rep, 6, 2016
|
|
6XO9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xo9 by Molmil](/molmil-images/mine/6xo9) | Self-assembly of a 3D DNA crystal lattice (4x6 junction version) containing the J33 immobile Holliday junction | 分子名称: | CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*TP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*CP*AP*GP*TP*CP*TP*GP*C)-3'), ... | 著者 | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | 登録日 | 2020-07-06 | 公開日 | 2021-07-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.103 Å) | 主引用文献 | The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly. Nat Commun, 13, 2022
|
|
6F3Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6f3q by Molmil](/molmil-images/mine/6f3q) | |
6F3P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6f3p by Molmil](/molmil-images/mine/6f3p) | |
6PQ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pq7 by Molmil](/molmil-images/mine/6pq7) | |
6BGD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bgd by Molmil](/molmil-images/mine/6bgd) | The crystal structure of the W145A variant of TpMglB-2 (Tp0684) with bound ligand | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Glucose/galactose-binding lipoprotein | 著者 | Brautigam, C.A, Norgard, M.V, Deka, R.K. | 登録日 | 2017-10-27 | 公開日 | 2018-01-31 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Crystal structures of MglB-2 (TP0684), a topologically variant d-glucose-binding protein from Treponema pallidum, reveal a ligand-induced conformational change. Protein Sci., 27, 2018
|
|
6F6C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6f6c by Molmil](/molmil-images/mine/6f6c) | |
6P6Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p6y by Molmil](/molmil-images/mine/6p6y) | Crystal structure of voltage-gated sodium channel NavAb V100C/Q150C disulfide crosslinked mutant in the activated state | 分子名称: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Ion transport protein | 著者 | Wisedchaisri, G, Tonggu, L, McCord, E, Gamal El-din, T.M, Wang, L, Zheng, N, Catterall, W.A. | 登録日 | 2019-06-04 | 公開日 | 2019-08-14 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | 主引用文献 | Resting-State Structure and Gating Mechanism of a Voltage-Gated Sodium Channel. Cell, 178, 2019
|
|
6P8C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p8c by Molmil](/molmil-images/mine/6p8c) | 2,5-diamino-6-(ribosylamino)-4(3H)-pyrimidinone 5'-phosphate reductase (MthRED) from Methanothermobacter thermautotrophicus | 分子名称: | 2,5-diamino-6-ribosylamino-4(3H)-pyrimidinone 5'-phosphate reductase, CHLORIDE ION, GLYCEROL, ... | 著者 | Carbone, V, Schofield, L.R, Hannus, I, Sutherland-Smith, A.J, Ronimus, R.S. | 登録日 | 2019-06-06 | 公開日 | 2020-06-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | The Crystal Structure of 2,5-diamino-6-(ribosylamino)-4(3H)-pyrimidinone 5'-phosphate reductase (MthRED) from Methanothermobacter thermautotrophicus To Be Published
|
|
5KAZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kaz by Molmil](/molmil-images/mine/5kaz) | Human SH2D1B structure | 分子名称: | SH2 domain-containing protein 1B, SULFATE ION | 著者 | Taha, M, Nezerwa, E, Nam, H.-J. | 登録日 | 2016-06-02 | 公開日 | 2017-04-12 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The X-ray Crystallographic Structure of Human EAT2 (SH2D1B). Protein Pept. Lett., 23, 2016
|
|
6FDG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fdg by Molmil](/molmil-images/mine/6fdg) | |
5KDT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kdt by Molmil](/molmil-images/mine/5kdt) | Structure of the human GluN1/GluN2A LBD in complex with GNE0723 | 分子名称: | (1~{R},2~{R})-2-[7-[[5-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxidanylidene-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile, ACETATE ION, GLUTAMIC ACID, ... | 著者 | Wallweber, H.J.A, Lupardus, P.J. | 登録日 | 2016-06-08 | 公開日 | 2016-07-13 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design. J. Med. Chem., 59, 2016
|
|
6FER
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fer by Molmil](/molmil-images/mine/6fer) | Crystal Structure of human DDR2 kinase in complex with 2-[4,5-difluoro-2-oxo-1'-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide | 分子名称: | 2-[4,5-bis(fluoranyl)-2-oxidanylidene-1'-(1~{H}-pyrazolo[3,4-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, Discoidin domain-containing receptor 2 | 著者 | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | 登録日 | 2018-01-03 | 公開日 | 2018-11-28 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | 主引用文献 | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome. Acs Chem.Biol., 14, 2019
|
|
6EW9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ew9 by Molmil](/molmil-images/mine/6ew9) | CRYSTAL STRUCTURE OF DEGS STRESS SENSOR PROTEASE IN COMPLEX WITH ACTIVATING DNRLGLVYQF PEPTIDE | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, DNRLGLVYQF PEPTIDE, ... | 著者 | Vetter, I.R, Porfetye, A.T, Stege, P. | 登録日 | 2017-11-03 | 公開日 | 2018-04-25 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Identification of Noncatalytic Lysine Residues from Allosteric Circuits via Covalent Probes. ACS Chem. Biol., 13, 2018
|
|
6PBM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pbm by Molmil](/molmil-images/mine/6pbm) | Pseudopaline Dehydrogenase with NADP+ bound | 分子名称: | 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pseudopaline Dehydrogenase | 著者 | McFarlane, J.S, Lamb, A.L. | 登録日 | 2019-06-14 | 公開日 | 2019-10-30 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores. J.Biol.Chem., 294, 2019
|
|
6XRN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xrn by Molmil](/molmil-images/mine/6xrn) | Crystal structure of human PI3K-gamma in complex with Compound 17 | 分子名称: | 2-amino-5-{2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-N-(trans-3-hydroxycyclobutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Walker, N.P, Jeffrey, J.L. | 登録日 | 2020-07-13 | 公開日 | 2021-11-03 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.96 Å) | 主引用文献 | Design, Synthesis, and Structure-Activity Relationship Optimization of Pyrazolopyrimidine Amide Inhibitors of Phosphoinositide 3-Kinase gamma (PI3K gamma ). J.Med.Chem., 65, 2022
|
|
6EY2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ey2 by Molmil](/molmil-images/mine/6ey2) | Crystal structure of XIAP-BIR3 in complex with a cIAP1-selective SM | 分子名称: | (3~{S},6~{S},7~{S},9~{a}~{S})-~{N}-[(4-~{tert}-butylphenyl)methyl]-7-(hydroxymethyl)-6-[[(2~{S})-2-(methylamino)butanoyl]amino]-5-oxidanylidene-1,2,3,6,7,8,9,9~{a}-octahydropyrrolo[1,2-a]azepine-3-carboxamide, E3 ubiquitin-protein ligase XIAP, ZINC ION | 著者 | Cossu, F, Corti, A, Milani, M, Mastrangelo, E. | 登録日 | 2017-11-10 | 公開日 | 2018-08-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structure-based design and molecular profiling of Smac-mimetics selective for cellular IAPs. FEBS J., 285, 2018
|
|
6XMV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xmv by Molmil](/molmil-images/mine/6xmv) | The crystal structure of Neisseria gonorrhoeae DolP (NGO1985) | 分子名称: | CHLORIDE ION, Hemolysin,Endolysin | 著者 | Li, J, Peterson Brown, L.E, Reed, R.W, Wierzbicki, I.H, Sikora, A.E, Korotkov, K.V. | 登録日 | 2020-06-30 | 公開日 | 2021-11-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | The structure and function of a new component of Bam complex in Neisseria To Be Published
|
|
6PG1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pg1 by Molmil](/molmil-images/mine/6pg1) | Crystal Structure of EcDsbA in a complex with unpurified reaction product F1 (methylpiperazinone 6) | 分子名称: | 1,2-ETHANEDIOL, 2-methyl-4-{4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]phenoxy}benzonitrile, COPPER (II) ION, ... | 著者 | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | 登録日 | 2019-06-23 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ). J.Med.Chem., 63, 2020
|
|
6AVA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ava by Molmil](/molmil-images/mine/6ava) | |
6PIS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pis by Molmil](/molmil-images/mine/6pis) | |